2-cyclopropyl-5-methyl-1-(4-phenylbutyl)piperazine

C18H28N2 — CID 114334917

IUPAC2-cyclopropyl-5-methyl-1-(4-phenylbutyl)piperazine
SMILESCC1CN(CCCCc2ccccc2)C(C2CC2)CN1
InChIInChI=1S/C18H28N2/c1-15-14-20(18(13-19-15)17-10-11-17)12-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,15,17-19H,5-6,9-14H2,1H3
InChIKeyHALIEURAHGKLTE-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.08
Rot. Bonds6

About 2-cyclopropyl-5-methyl-1-(4-phenylbutyl)piperazine

2-cyclopropyl-5-methyl-1-(4-phenylbutyl)piperazine (PubChem CID 114334917) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-1-(4-phenylbutyl)piperazine.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-1-(4-phenylbutyl)piperazine
PubChem CID114334917
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-cyclopropyl-5-methyl-1-(4-phenylbutyl)piperazine
SMILESCC1CN(CCCCc2ccccc2)C(C2CC2)CN1
InChIInChI=1S/C18H28N2/c1-15-14-20(18(13-19-15)17-10-11-17)12-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,15,17-19H,5-6,9-14H2,1H3
InChIKeyHALIEURAHGKLTE-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-1-(3-phenylpropyl)-5-propan-2-ylpiperazine
CID 64839240
5-methyl-1-(4-phenylbutyl)-2-propylpiperazine
CID 114334915
5-methyl-2-(2-methylpropyl)-1-(3-phenylpropyl)piperazine
CID 64845965
2-cyclopropyl-5-(2-methylpropyl)-1-(2-phenylethyl)piperazine
CID 64849130
2-cyclopropyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine
CID 65488983
2-cyclohexyl-5-methyl-1-pentylpiperazine
CID 64844371
2,2,5-trimethyl-1-(4-phenylbutyl)piperazine
CID 114334919
2-(6-phenylhexyl)-2-azabicyclo[3.1.0]hexane
CID 175956808
2-cyclopropyl-1-(2-methoxyethyl)-5-methylpiperazine
CID 64845102
2-cyclopropyl-5-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 64846089
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
4-ethyl-5-(4-phenylbutyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114334232

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-1-(4-phenylbutyl)piperazine?
The IUPAC name of 2-cyclopropyl-5-methyl-1-(4-phenylbutyl)piperazine (CID 114334917) is 2-cyclopropyl-5-methyl-1-(4-phenylbutyl)piperazine.
What is the SMILES notation for 2-cyclopropyl-5-methyl-1-(4-phenylbutyl)piperazine?
The canonical SMILES for 2-cyclopropyl-5-methyl-1-(4-phenylbutyl)piperazine is CC1CN(CCCCc2ccccc2)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-5-methyl-1-(4-phenylbutyl)piperazine?
The InChIKey is HALIEURAHGKLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15-14-20(18(13-19-15)17-10-11-17)12-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,15,17-19H,5-6,9-14H2,1H3.
What are the key properties of 2-cyclopropyl-5-methyl-1-(4-phenylbutyl)piperazine?
2-cyclopropyl-5-methyl-1-(4-phenylbutyl)piperazine has a molecular weight of 272.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-1-(4-phenylbutyl)piperazine is sourced from PubChem (CID 114334917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).